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(R)-2-(Cyclopentyloxy)-1-methoxy-4-(1-nitrobut-3-en-2-yl)-benzene
SpectraBase Compound ID dy5T0JT8e
InChI InChI=1S/C16H21NO4/c1-3-12(11-17(18)19)13-8-9-15(20-2)16(10-13)21-14-6-4-5-7-14/h3,8-10,12,14H,1,4-7,11H2,2H3/t12-/m0/s1
InChIKey UJKUZVBUKMRUSA-LBPRGKRZSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6nN9uyxxPpt
Name (R)-2-(Cyclopentyloxy)-1-methoxy-4-(1-nitrobut-3-en-2-yl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.147058156 u
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-3-12(11-17(18)19)13-8-9-15(20-2)16(10-13)21-14-6-4-5-7-14/h3,8-10,12,14H,1,4-7,11H2,2H3/t12-/m0/s1
InChIKey UJKUZVBUKMRUSA-LBPRGKRZSA-N
SMILES C=1(C=CC(=C(C1)OC1CCCC1)OC)[C@@](C=C)(C[N+](=O)[O-])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955222